SCHEMBL521033

SCHEMBL521033

CC(C)(C)OC(=O)N1CCC(c2ccc(N)cc2)C(O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NR1H2 P55055 1/20 0.45
PDE4B Q07343 1/20 0.45
RORC P51449 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
TACR1 P25103 1/20 0.43
USP30 Q70CQ3 3/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
ENPP2 Q13822 1/20 0.42
NAMPT P43490 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31059380 1.00 ALDH1A1 (0.46) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL16874803 0.89 PDE4B (0.46) ALDH1A1PDE4BRORCGPR119TACR1
SCHEMBL26808070 0.89 GPR119 (0.55) MAPTPDE4BRORCGPR119TACR1
SCHEMBL4602756 0.89 PDE4B (0.46) ALDH1A1PDE4BRORCGPR119TACR1
SCHEMBL3062563 0.89 PDE4B (0.46) ALDH1A1PDE4BRORCGPR119TACR1
SCHEMBL24495116 0.88 RORC (0.49) PDE4BRORCGPR119TACR1USP30
SCHEMBL16109014 0.88 ENPP2 (0.51) PDE4BRORCGPR119TACR1PTPN2
SCHEMBL14934468 0.88 ENPP2 (0.51) PDE4BRORCGPR119TACR1PTPN2
SCHEMBL16799262 0.88 RORC (0.49) PDE4BRORCGPR119TACR1USP30
SCHEMBL24495119 0.88 RORC (0.49) PDE4BRORCGPR119TACR1USP30

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ALDH1A1 779/4885NPC1 3543/4885MAPT 3109/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.